1-{(E)-[(5-chloropyridin-2-yl)imino]methyl}-2-naphthol
Basic information
- CAS
72350-10-8- Standard SMILES
Oc1ccc2ccccc2c1C=Nc1ccc(Cl)cn1- InChIKey
MBTVWUYRVPSNKS-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O
- Average molar mass
- 282.72 g/mol
- Monoisotopic mass
- 282.0559907
Names & identifiers
- Preferred name
- 1-{(E)-[(5-chloropyridin-2-yl)imino]methyl}-2-naphthol
- IUPAC
- 1-[(5-chloro-2-pyridinyl)iminomethyl]naphthalen-2-ol
- English name
- 2-Naphthalenol, 1-[[(5-chloro-2-pyridinyl)imino]methyl]-
- Molecular formula
- C16H11ClN2O
- Molecular weight
- 282.72
Names & synonyms
1-[(1E)-2-(5-chloro(2-pyridyl))-2-azavinyl]naphthalen-2-olMLS000685415CHEMBL3193289HMS2618L11AKOS001591202SMR000312379ST010435EU-00345341-{(E)-[(5-chloropyridin-2-yl)imino]methyl}-2-naphthol1-((5-CHLORO-PYRIDIN-2-YLIMINO)-METHYL)-NAPHTHALEN-2-OL1-{[(5-CHLOROPYRIDIN-2-YL)IMINO]METHYL}NAPHTHALEN-2-OL2-Naphthalenol, 1-[[(5-chloro-2-pyridinyl)imino]methyl]-
Database identifiers
- CAS
72350-10-8- PubChem CID
- 710273
- ChEMBL
CHEMBL3193289- EC Number
- 167-818-9
- Nikkaji
- J2.885.124C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 492 · 492.0±40.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 8.08 · 8.08±0.50(Predicted)
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